N2-isobutyroyl-6-methyl-5-nicotinoyl-5,6,7,8-tetrahydropterin | 343347-53-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 蝶啶及其衍生物
• 英文名称: N2-isobutyroyl-6-methyl-5-nicotinoyl-5,6,7,8-tetrahydropterin
• 英文别名: 2-methyl-N-[6-methyl-4-oxo-5-(pyridine-3-carbonyl)-1,6,7,8-tetrahydropteridin-2-yl]propanamide；2-methyl-N-[6-methyl-4-oxo-5-(pyridine-3-carbonyl)-3,6,7,8-tetrahydropteridin-2-yl]propanamide
• CAS: 343347-53-5
• 化学式: C₁₇H₂₀N₆O₃
• 分子量: 356.384
• InChiKey: SPVHOSYRPZXDBY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  116
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N2-isobutyroyl-6-methyl-5-nicotinoyl-5,6,7,8-tetrahydropterin 在 甲醇 、 sodium 作用下， 反应 12.0h， 以70%的产率得到6-methyl-5-nicotinoyl-5,6,7,8-tetrahydropterin
  参考文献：
  名称：

  Pteridines CXX. Synthesis and Properties of Tetrahydropterins Coupled to 1,4-Dihydropyridines

  摘要：

  N(2)-Isobutyroyl-5,6,7,8-tetrahydropterins (6-10) have been coupled with nicotinic acid to form the N(5)-nicotinoyl derivatives 11-15. Quaternization at the pyridine moiety led to 19-31 which can be reduced to the corresponding N-substituted 1,4-dihydropyridine dertivatives 35-39. Partial deacylation of the isobutyroyl group afforded the various types of terahydropterins 16-18, 32-34 and 40-42. The newly synthesized 5,6,7,8-tetrahydropterin derivatives have been characterized by pK(a)-determinations, UV- and NMR-spectra as well as elemental analyses.

  DOI：

  10.3987/com-08-s(f)70
• 作为产物：
  描述：

  、 氯化烟碱盐酸盐 在 吡啶 作用下， 以0.65 g的产率得到N2-isobutyroyl-6-methyl-5-nicotinoyl-5,6,7,8-tetrahydropterin
  参考文献：
  名称：

  Pteridines CXX. Synthesis and Properties of Tetrahydropterins Coupled to 1,4-Dihydropyridines

  摘要：

  N(2)-Isobutyroyl-5,6,7,8-tetrahydropterins (6-10) have been coupled with nicotinic acid to form the N(5)-nicotinoyl derivatives 11-15. Quaternization at the pyridine moiety led to 19-31 which can be reduced to the corresponding N-substituted 1,4-dihydropyridine dertivatives 35-39. Partial deacylation of the isobutyroyl group afforded the various types of terahydropterins 16-18, 32-34 and 40-42. The newly synthesized 5,6,7,8-tetrahydropterin derivatives have been characterized by pK(a)-determinations, UV- and NMR-spectra as well as elemental analyses.

  DOI：

  10.3987/com-08-s(f)70

文献信息

• Pteridines CXX. Synthesis and Properties of Tetrahydropterins Coupled to 1,4-Dihydropyridines
  作者：Wolfgang Pfleiderer、Joachim Rehse

  DOI：10.3987/com-08-s(f)70

  日期：——

  N(2)-Isobutyroyl-5,6,7,8-tetrahydropterins (6-10) have been coupled with nicotinic acid to form the N(5)-nicotinoyl derivatives 11-15. Quaternization at the pyridine moiety led to 19-31 which can be reduced to the corresponding N-substituted 1,4-dihydropyridine dertivatives 35-39. Partial deacylation of the isobutyroyl group afforded the various types of terahydropterins 16-18, 32-34 and 40-42. The newly synthesized 5,6,7,8-tetrahydropterin derivatives have been characterized by pK(a)-determinations, UV- and NMR-spectra as well as elemental analyses.